input word = C00045449

Metabolite InformationStructural formula
Name Xanthanthusin E
Formula C19H24O6
Mw 348.1572885
CAS RN 436142-45-9
C_ID C00045449 ,
InChIKey SGKJGYABTMHZMR-TWYLJJHKNA-N
InChICode InChI=1S/C19H24O6/c1-9(2)10-13(20)11(16(23)24)12(15(22)14(10)21)19(5)8-6-7-18(3,4)17(19)25/h9,21H,6-8H2,1-5H3,(H,23,24)/t19-/m1/s1
SMILES C1(=O)C(=C(C(=O)C(=C1C(=O)O)[C@@]1(C(=O)C(CCC1)(C)C)C)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeColeus xanthanthus Ref.
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OrganismColeus xanthanthus
ReferenceMei,J.Nat.Prod.,65,(2002),634